SCHEMBL7440389

SCHEMBL7440389

CCCCc1ccc(NC(=O)CN2CCC(NCC(O)C3COc4ccccc4O3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.44
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LTA4H P09960 4/20 0.39
HRH3 Q9Y5N1 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GLA P06280 1/20 0.39
REV1 Q9UBZ9 1/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7447128 0.89 RAB9A (0.52) MEN1KMT2APOLBRAB9ALMNA
SCHEMBL7430532 0.89 KMT2A (0.39) MEN1KMT2APOLBRAB9ALMNA
SCHEMBL7435658 0.89 CNR2 (0.44) MEN1KMT2APOLBRAB9ALMNA
SCHEMBL7439756 0.89 POLB (0.45) POLBRAB9ALMNAALDH1A1LTA4H
SCHEMBL7445143 0.88 POLB (0.42) MEN1KMT2APOLBRAB9ALMNA
SCHEMBL7443888 0.88 POLB (0.48) POLBRAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL7445153 0.88 MAPT (0.36) MEN1KMT2APOLBLMNAALDH1A1
SCHEMBL10997102 0.88 MEN1 (0.52) MEN1KMT2APOLBRAB9ALMNA
SCHEMBL7439415 0.87 POLB (0.49) POLBRAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL7438128 0.87 POLB (0.42) MEN1KMT2APOLBRAB9ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US claimed
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed